Geometry & MOs

Info

ID:	77587
PubChem CID:	49655579
Reduced:	SO3N4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	320.116092
ΔH_f, kcal/mol:	-66.69
Dipole, Da:	4.77
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methoxyphenyl)-2-phenacylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)C2=CC=C(C=C2)NC(=O)N3CCOCC3

DOS

IR

Vibrations